Sugi Predict

Sugi Predict / Compounds / SCHEMBL4589087

SCHEMBL4589087

SCHEMBL4589087

O=C(CN1CC=C(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ SIGMAR1 Q99720 4/20 0.48
▸ HTR7 P34969 2/20 0.46
▸ KDM4E B2RXH2 7/20 0.45
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ S1PR5 Q9H228 1/20 0.41
▸ HTR1A P08908 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4587710 0.92 SIGMAR1 (0.52) PPARGPPARASIGMAR1HTR7KDM4E
Hydrochloric Acid SCHEMBL4588328 0.91 SIGMAR1 (0.51) PPARGPPARASIGMAR1HTR7KDM4E
SCHEMBL4589148 0.89 SIGMAR1 (0.48) PPARGPPARASIGMAR1HTR7KDM4E
SCHEMBL4588826 0.88 SIGMAR1 (0.47) PPARGPPARASIGMAR1HTR7KDM4E
Hydrochloric Acid SCHEMBL4588524 0.88 SIGMAR1 (0.47) PPARGPPARASIGMAR1HTR7KDM4E
SCHEMBL6653223 0.87 PPARG (0.51) PPARGPPARASIGMAR1HTR7KDM4E
Hydrochloric Acid SCHEMBL4589225 0.87 SIGMAR1 (0.47) PPARGPPARASIGMAR1HTR7KDM4E
Hydrochloric Acid SCHEMBL4588566 0.87 PPARG (0.51) PPARGPPARASIGMAR1HTR7KDM4E
SCHEMBL4588594 0.87 PPARG (0.55) PPARGPPARASIGMAR1HTR7KDM4E
SCHEMBL4589091 0.86 PPARG (0.47) PPARGPPARASIGMAR1HTR7KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936621-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-08-30 — — US claimed
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2004-06-24 — — US claimed
EP-0979079-B1 USE OF TETRAHYDROPYRIDINE DERIVATIVES TO PREPARE MEDICINES FOR TREATING DISEASES CAUSING DEMYELINATION SANOFI SYNTHELABO (FR) 2004-06-16 — — EP claimed
EP-0950053-B1 NEW DERIVATIVES OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI SYNTHELABO (FR) 2003-06-11 — — EP claimed
US-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines BARONI MARCO (IT) 2002-05-16 — — US claimed
US-6344464-B1 Use of tetrahydropyridine derivatives to prepare medicines for treating diseases causing demyelination SANOFI-SYNTHELABO (FR) 2002-02-05 — — US claimed
EP-0950053-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1999-10-20 — — EP claimed
WO-1998028274-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1998-07-02 — — WO claimed
US-7320982-B2 Use of 4-substituted tetrahydropyridines for the manufacture of medicaments acting upon TGF-β 1 SANOFI-AVENTIS (FR) 2008-01-22 — — US disclosed
US-7297799-B2 Preparation of benzoylalkyl-1,2,3,6-tetrahydropyridines and use thereof SANOFI-AVENTIS (FR) 2007-11-20 — — US disclosed
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF SANOFI-AVENTIS (FR) 2007-03-08 — — US disclosed
US-7151107-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2006-12-19 — — US disclosed
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-10-06 — — US disclosed
US-6936621-B2 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines SANOFI-AVENTIS (FR) 2005-08-30 — — US disclosed
US-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines BARONI MARCO (IT) 2002-05-16 — — US disclosed
US-6358965-B1 THERAPY AND/OR PROPHYLAXIS OF DISEASES WHICH INVOLVE NEURONAL DEGENERATION BY ADMINISTERING BENZOYL-1,2,3,6-TETRAHYDROPYRIDINES COMPOUND SANOFI-SYNTHELABO (FR) 2002-03-19 — — US disclosed
US-6344464-B1 Use of tetrahydropyridine derivatives to prepare medicines for treating diseases causing demyelination SANOFI-SYNTHELABO (FR) 2002-02-05 — — US disclosed
US-6342505-B1 inhibiting apoptosis using xaliproden hydrochloride, or other tetrahydropyridine derivatives SANOFI-SYNTHELABO (FR) 2002-01-29 — — US disclosed
EP-0950053-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1999-10-20 — — EP disclosed
WO-1998028274-A1 USE OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINS SANOFI (FR) 1998-07-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020058672-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B PPARG 3986/4885PPARA 3549/4885SIGMAR1 481/4885
US-20040122032-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, KCNJ2, CACNA1B PPARG 3986/4885PPARA 3549/4885SIGMAR1 481/4885
US-20070054931-A1 PREPARATION OF BENZOYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES AND USE THEREOF BDNF, KCNH1, GABRA6 PPARG 3161/4885PPARA 2326/4885SIGMAR1 695/4885
US-20050222187-A1 Use of benzoylalkyl-1,2,3,6-tetrahydropyridines KCNH1, ATP6V1B2, KCNJ6 PPARG 3634/4885PPARA 3022/4885SIGMAR1 491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.